2-[6-[4-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane-3-carbonyl]-5-azaspiro[3.4]octan-6-one

C24H30N2O2 — CID 156825664

IUPAC2-[6-[4-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane-3-carbonyl]-5-azaspiro[3.4]octan-6-one
SMILESCC1(c2ccc(C34CCN(C(=O)C5CC6(CCC(=O)N6)C5)CC3C4)cc2)CC1
InChIInChI=1S/C24H30N2O2/c1-22(8-9-22)17-2-4-18(5-3-17)24-10-11-26(15-19(24)14-24)21(28)16-12-23(13-16)7-6-20(27)25-23/h2-5,16,19H,6-15H2,1H3,(H,25,27)
InChIKeyANTZIMAVDLVZGK-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.29
Rot. Bonds3

About 2-[6-[4-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane-3-carbonyl]-5-azaspiro[3.4]octan-6-one

2-[6-[4-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane-3-carbonyl]-5-azaspiro[3.4]octan-6-one (PubChem CID 156825664) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-[6-[4-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane-3-carbonyl]-5-azaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name2-[6-[4-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane-3-carbonyl]-5-azaspiro[3.4]octan-6-one
PubChem CID156825664
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name2-[6-[4-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane-3-carbonyl]-5-azaspiro[3.4]octan-6-one
SMILESCC1(c2ccc(C34CCN(C(=O)C5CC6(CCC(=O)N6)C5)CC3C4)cc2)CC1
InChIInChI=1S/C24H30N2O2/c1-22(8-9-22)17-2-4-18(5-3-17)24-10-11-26(15-19(24)14-24)21(28)16-12-23(13-16)7-6-20(27)25-23/h2-5,16,19H,6-15H2,1H3,(H,25,27)
InChIKeyANTZIMAVDLVZGK-UHFFFAOYSA-N
XLogP3.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane-3-carbonyl]-5-azaspiro[3.4]octan-6-one?
The IUPAC name of 2-[6-[4-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane-3-carbonyl]-5-azaspiro[3.4]octan-6-one (CID 156825664) is 2-[6-[4-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane-3-carbonyl]-5-azaspiro[3.4]octan-6-one.
What is the SMILES notation for 2-[6-[4-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane-3-carbonyl]-5-azaspiro[3.4]octan-6-one?
The canonical SMILES for 2-[6-[4-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane-3-carbonyl]-5-azaspiro[3.4]octan-6-one is CC1(c2ccc(C34CCN(C(=O)C5CC6(CCC(=O)N6)C5)CC3C4)cc2)CC1.
What is the InChIKey of 2-[6-[4-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane-3-carbonyl]-5-azaspiro[3.4]octan-6-one?
The InChIKey is ANTZIMAVDLVZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-22(8-9-22)17-2-4-18(5-3-17)24-10-11-26(15-19(24)14-24)21(28)16-12-23(13-16)7-6-20(27)25-23/h2-5,16,19H,6-15H2,1H3,(H,25,27).
What are the key properties of 2-[6-[4-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane-3-carbonyl]-5-azaspiro[3.4]octan-6-one?
2-[6-[4-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane-3-carbonyl]-5-azaspiro[3.4]octan-6-one has a molecular weight of 378.52 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane-3-carbonyl]-5-azaspiro[3.4]octan-6-one is sourced from PubChem (CID 156825664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).